smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2cccc(OC(F)F)c2)CC(=O)O4)cc1O	ZINC000217731696	569881276	/nfs/dbraw/zinc/88/12/76/569881276.db2.gz	QAGUEXRLLNNACK-OAHLLOKOSA-N	0	2	496.418	4.922	50	70		JJIALN
O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc1c2[C@H](C2=Cc3ccccc3OC2)CC(=O)O1	ZINC000217732215	569881250	/nfs/dbraw/zinc/88/12/50/569881250.db2.gz	RUSIXEIDISQBEI-SFHVURJKSA-N	0	2	454.434	4.740	50	70		JJIALN
O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc1c2[C@H](c2cc(F)c(F)c(F)c2)CC(=O)O1	ZINC000217642703	569880814	/nfs/dbraw/zinc/88/08/14/569880814.db2.gz	HZTOCWDBUYDPMO-ZDUSSCGKSA-N	0	2	454.356	4.730	50	70		JJIALN
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc(O)c1-3)[C@H](c1cc(F)c(F)c(F)c1)CC(=O)O2	ZINC000217642703	569880815	/nfs/dbraw/zinc/88/08/15/569880815.db2.gz	HZTOCWDBUYDPMO-ZDUSSCGKSA-N	0	2	454.356	4.730	50	70		JJIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2ccccc2Cl)CC(=O)O4)cc1O	ZINC000217816768	569881720	/nfs/dbraw/zinc/88/17/20/569881720.db2.gz	MQLAUGAFUJNUMK-CQSZACIVSA-N	0	2	464.857	4.974	50	70		JJIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2cccc(OC(F)F)c2)CC(=O)O4)cc1O	ZINC000217731778	569881241	/nfs/dbraw/zinc/88/12/41/569881241.db2.gz	QAGUEXRLLNNACK-HNNXBMFYSA-N	0	2	496.418	4.922	50	70		JJIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](C2=Cc3ccccc3OC2)CC(=O)O4)cc1O	ZINC000217596395	569880398	/nfs/dbraw/zinc/88/03/98/569880398.db2.gz	RIPOTKSOUVGDGS-KRWDZBQOSA-N	0	2	484.460	4.749	50	70		JJIALN
O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc1c2[C@H](c2cccc(OC(F)F)c2)CC(=O)O1	ZINC000217854432	569881915	/nfs/dbraw/zinc/88/19/15/569881915.db2.gz	GLEGQBGZCGVDTE-INIZCTEOSA-N	0	2	466.392	4.914	50	70		JJIALN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2ccc(O)c(Cl)c2)CC(=O)O4)cc1O	ZINC000217855418	569881892	/nfs/dbraw/zinc/88/18/92/569881892.db2.gz	WEKMFDYUMAHBSQ-ZDUSSCGKSA-N	0	2	480.856	4.680	50	70		JJIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2ccc(O)c(Cl)c2)CC(=O)O4)cc1O	ZINC000217855418	569881893	/nfs/dbraw/zinc/88/18/93/569881893.db2.gz	WEKMFDYUMAHBSQ-ZDUSSCGKSA-N	0	2	480.856	4.680	50	70		JJIALN
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc(O)c1-3)[C@H](c1ccc(O)c(Cl)c1)CC(=O)O2	ZINC000217631326	569880732	/nfs/dbraw/zinc/88/07/32/569880732.db2.gz	SZWLFXWRZAIEMB-AWEZNQCLSA-N	0	2	450.830	4.671	50	70		JJIALN
O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc1c2[C@H](c2ccc(O)c(Cl)c2)CC(=O)O1	ZINC000217631326	569880733	/nfs/dbraw/zinc/88/07/33/569880733.db2.gz	SZWLFXWRZAIEMB-AWEZNQCLSA-N	0	2	450.830	4.671	50	70		JJIALN
O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc1c2[C@@H](c2cccc(OC(F)F)c2)CC(=O)O1	ZINC000217854525	569881886	/nfs/dbraw/zinc/88/18/86/569881886.db2.gz	GLEGQBGZCGVDTE-MRXNPFEDSA-N	0	2	466.392	4.914	50	70		JJIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](C2=Cc3ccccc3OC2)CC(=O)O4)cc1O	ZINC000217596318	569880453	/nfs/dbraw/zinc/88/04/53/569880453.db2.gz	RIPOTKSOUVGDGS-QGZVFWFLSA-N	0	2	484.460	4.749	50	70		JJIALN
O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc1c2[C@@H](c2cc(F)c(F)c(F)c2)CC(=O)O1	ZINC000217642788	569880826	/nfs/dbraw/zinc/88/08/26/569880826.db2.gz	HZTOCWDBUYDPMO-CYBMUJFWSA-N	0	2	454.356	4.730	50	70		JJIALN
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc(O)c1-3)[C@@H](c1cc(F)c(F)c(F)c1)CC(=O)O2	ZINC000217642788	569880827	/nfs/dbraw/zinc/88/08/27/569880827.db2.gz	HZTOCWDBUYDPMO-CYBMUJFWSA-N	0	2	454.356	4.730	50	70		JJIALN
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc(O)c1-3)[C@@H](c1ccc(O)c(Cl)c1)CC(=O)O2	ZINC000217631407	569880708	/nfs/dbraw/zinc/88/07/08/569880708.db2.gz	SZWLFXWRZAIEMB-CQSZACIVSA-N	0	2	450.830	4.671	50	70		JJIALN
O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc1c2[C@@H](c2ccc(O)c(Cl)c2)CC(=O)O1	ZINC000217631407	569880709	/nfs/dbraw/zinc/88/07/09/569880709.db2.gz	SZWLFXWRZAIEMB-CQSZACIVSA-N	0	2	450.830	4.671	50	70		JJIALN
O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc1c2[C@@H](C2=Cc3ccccc3OC2)CC(=O)O1	ZINC000217732297	569881227	/nfs/dbraw/zinc/88/12/27/569881227.db2.gz	RUSIXEIDISQBEI-GOSISDBHSA-N	0	2	454.434	4.740	50	70		JJIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2ccccc2Cl)CC(=O)O4)cc1O	ZINC000217816849	569881665	/nfs/dbraw/zinc/88/16/65/569881665.db2.gz	MQLAUGAFUJNUMK-AWEZNQCLSA-N	0	2	464.857	4.974	50	70		JJIALN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](c2ccc(O)c(Cl)c2)CC(=O)O4)cc1O	ZINC000217855357	569881879	/nfs/dbraw/zinc/88/18/79/569881879.db2.gz	WEKMFDYUMAHBSQ-CYBMUJFWSA-N	0	2	480.856	4.680	50	70		JJIALN
COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2ccc(O)c(Cl)c2)CC(=O)O4)cc1O	ZINC000217855357	569881880	/nfs/dbraw/zinc/88/18/80/569881880.db2.gz	WEKMFDYUMAHBSQ-CYBMUJFWSA-N	0	2	480.856	4.680	50	70		JJIALN